| CAS Number | 1427502-19-9 |
| Catalog Number | AG00HWMC(AGN-PC-0WAKL3) |
| Chemical Name | ETHYL AZEPANE-3-CARBOXYLATE HCL |
| IUPAC Name | ethyl azepane-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C9H17NO2.ClH/c1-2-12-9(11)8-5-3-4-6-10-7-8;/h8,10H,2-7H2,1H3;1H |
| InChI Key | QMKFELCUZZLWMW-UHFFFAOYSA-N |
| MDL Number | MFCD23703425 |
| Molecular Formula | C9H18ClNO2 |
| Molecular Weight | 207.6977 |
| SMILES | Cl.CCOC(=O)C1CCCCNC1 |
| Synonyms | 1427502-19-9,
ETHYL AZEPANE-3-CARBOXYLATE HCL,
Ethyl azepane-3-carboxylate hydrochloride,
Hexahydro-1H-azepine-3-carboxylic Acid Ethyl Ester Hydrochloride,
MFCD23703425,
AKOS027255374,
ethyl azepane-3-carboxylate;hydrochloride,
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.698g/mol |
| Monoisotopic Mass | 207.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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